SCHEMBL321816

SCHEMBL321816

COC(=O)c1cc(O)cc(OC(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
MAPT P10636 5/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.53
ACR P10323 2/20 0.51
PRSS1 P07477 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SLC6A3 Q01959 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28558841 0.90 TSHR (0.68) TSHRMAPTKMT2ATDP1MEN1
SCHEMBL10068534 0.86 TSHR (0.61) TSHRMAPTKMT2ATDP1MEN1
SCHEMBL17383940 0.85 KMT2A (0.59) TSHRCA12CA9ESR1ESR2
SCHEMBL705336 0.85 KMT2A (0.59) TSHRCA12CA9ESR1ESR2
SCHEMBL6264503 0.84 TSHR (0.59) TSHRCA1CA2MAPTKMT2A
SCHEMBL21963595 0.83 ALDH1A1 (0.66) TSHRMAPTKMT2ALMNAALDH1A1
SCHEMBL710275 0.83 CA12 (0.59) TSHRCA12CA1CA2CA7
SCHEMBL7752770 0.82 PRSS1 (0.66) TSHRESR1ESR2MAPTKMT2A
SCHEMBL17376972 0.81 MAPT (0.53) TSHRESR1ESR2MAPTKMT2A
SCHEMBL10068533 0.81 TSHR (0.54) TSHRCA1CA2MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007758-A2 PHARMACEUTICAL FORMULATIONS ASTRAZENECA AB (SE) 2012-01-19 WO disclosed
WO-2012007758-A2 PHARMACEUTICAL FORMULATIONS ASTRAZENECA AB (SE) 2012-01-19 WO disclosed
US-8093252-B2 Crystalline polymorphic form of glucokinase activator ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093252-B2 Crystalline polymorphic form of glucokinase activator ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093252-B2 Crystalline polymorphic form of glucokinase activator ASTRAZENECA AB (SE) 2012-01-10 US disclosed
EP-2396314-A1 PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS AstraZeneca AB (SE) 2011-12-21 EP disclosed
EP-2396317-A1 CRYSTALLINE POLYMORPHIC FORM 631 AstraZeneca AB (SE) 2011-12-21 EP disclosed
US-8076481-B2 Chemical process 632 ASTRAZENECA AB (SE) 2011-12-13 US disclosed
US-8076481-B2 Chemical process 632 ASTRAZENECA AB (SE) 2011-12-13 US disclosed
US-8076481-B2 Chemical process 632 ASTRAZENECA AB (SE) 2011-12-13 US disclosed
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210841-A1 CHEMICAL PROCESS 632 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210841-A1 CHEMICAL PROCESS 632 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210841-A1 CHEMICAL PROCESS 632 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
WO-2010092386-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
WO-2010092386-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
WO-2010092387-A1 PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
WO-2010092387-A1 PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS ASTRAZENECA AB (SE) 2010-08-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210841-A1 CHEMICAL PROCESS 632 F12, XDH, REN TSHR 1357/4885CA12 318/4885CA1 1078/4885
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 GCKR, GCK, HK1 TSHR 4186/4885CA12 3835/4885CA1 3405/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.